N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine

C17H17N5OS4 — CID 24562899

About N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 24562899) has the molecular formula C17H17N5OS4 and a molecular weight of 435.63 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 24562899
• Molecular Formula: C17H17N5OS4
• Molecular Weight: 435.63 g/mol
• Exact Mass: 435.03
• IUPAC Name: N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine
• SMILES: c1csc(CCNc2nnc(SCCCc3nc(-c4cccs4)no3)s2)c1
• InChI: InChI=1S/C17H17N5OS4/c1-4-12(24-9-1)7-8-18-16-20-21-17(27-16)26-11-3-6-14-19-15(22-23-14)13-5-2-10-25-13/h1-2,4-5,9-10H,3,6-8,11H2,(H,18,20)
• InChIKey: RZTWZJXJVCPWNN-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.63
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 24562899) is N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine is c1csc(CCNc2nnc(SCCCc3nc(-c4cccs4)no3)s2)c1.

What is the InChIKey of N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is RZTWZJXJVCPWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS4/c1-4-12(24-9-1)7-8-18-16-20-21-17(27-16)26-11-3-6-14-19-15(22-23-14)13-5-2-10-25-13/h1-2,4-5,9-10H,3,6-8,11H2,(H,18,20).

What are the key properties of N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine?

N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 435.63 g/mol, XLogP of 5.09, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-thiophen-2-ylethyl)-5-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24562899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).